Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Butopyronoxyl. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Butopyronoxyl SCHEMBL121985 | 0.96 | TSHR (0.42) | TSHRTDP1L3MBTL1ESR1LMNA | |
| Butopyronoxyl SCHEMBL8952222 | 0.94 | TSHR (0.40) | TSHRTDP1L3MBTL1ESR1LMNA | |
| Butopyronoxyl SCHEMBL7635420 | 0.86 | TSHR (0.49) | TSHRTDP1L3MBTL1ESR1LMNA | |
| Butopyronoxyl SCHEMBL9751913 | 0.77 | TDP2 (0.36) | TSHRTDP1L3MBTL1MAPK1CYP2C19 | |
| SCHEMBL2113918 | 0.72 | HCAR2 (0.45) | CYP1A2 | |
| SCHEMBL11304697 | 0.71 | HCAR2 (0.60) | TSHRTDP1L3MBTL1LMNAMAPK1 | |
| SCHEMBL14430293 | 0.69 | TSHR (0.42) | TSHRTDP1L3MBTL1ESR1LMNA | |
| SCHEMBL15478105 | 0.69 | ALDH1A1 (0.38) | TSHRL3MBTL1LMNACYP1A2ALDH1A1 | |
| SCHEMBL27848697 | 0.67 | TSHR (0.56) | TSHRTDP1L3MBTL1ESR1LMNA | |
| SCHEMBL2258560 | 0.67 | ALDH1A1 (0.38) | LMNAALDH1A1HSD17B10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9708757-B2 | Process of treatment of fibers and/or textile materials | LIPOTEC, S.A. (ES) | 2017-07-18 | — | — | US | disclosed |
| EP-2898774-A1 | Composition for the treatment of textile materials | Archroma IP GmbH (CH) | 2015-07-29 | — | — | EP | disclosed |
| EP-2550391-B1 | PROCESS OF TREATMENT OF FIBERS AND/OR TEXTILE MATERIALS | LIPOTEC SA (ES) | 2014-02-12 | — | — | EP | disclosed |
| US-20130064876-A1 | PROCESS OF TREATMENT OF FIBERS AND/OR TEXTILE MATERIALS | LIPOTEC S.A. (ES) | 2013-03-14 | — | — | US | disclosed |
| EP-2550391-A1 | PROCESS OF TREATMENT OF FIBERS AND/OR TEXTILE MATERIALS | Lipotec, S.A. (ES) | 2013-01-30 | — | — | EP | disclosed |
| WO-2011116962-A1 | PROCESS OF TREATMENT OF FIBERS AND/OR TEXTILE MATERIALS | LIPOTEC S.A. (ES) | 2011-09-29 | — | — | WO | disclosed |